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Home> Hot Product Listed S   > Sulfobutanedioic acid, laneth-5 ester, disodium salt
643087-95-0 structure

Sulfobutanedioic acid, laneth-5 ester, disodium salt

Iupac Name:tert-butyl 3-(4-aminophenoxy)piperidine-1-carboxylate
CAS No.:643087-95-0
Molecular Weight:292.379
Molecular Formula:C16H14 (isomer)
Names and Identifiers
Synonyms

DISODIUM LANETH-5 SULFOSUCCINATE disodium lanolin alcohol ethoxylate sulfosuccinate Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxosulfopropyl)-.omega.-hydroxy-, ethers with lanolin alcs., disodium salts

Inchi
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-4-5-14(11-18)20-13-8-6-12(17)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3
InChkey
UHZBDRFKBJLUTD-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC=C(C=C2)N
Properties
Density
g/cm3
Boiling Point
228 deg C
Refractive Index
1.552
Flash Point
187.3°C
Computational chemical data
  • Molecular Weight:292.379g/mol
  • Molecular Formula:C16H14
  • Compound Is Canonicalized:True
  • Exact Mass:292.179
  • Monoisotopic Mass:292.179
  • Complexity:346
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.8A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADFzhkAYyzoNABACI ACRCWACCCAAgIgAIiAAObIgOJiKEsZuPOCDk1hGY6AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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